ethanol;oxolane;hydrochloride

C6H15ClO2 — CID 23103637

IUPACethanol;oxolane;hydrochloride
SMILESC1CCOC1.CCO.Cl
InChIInChI=1S/C4H8O.C2H6O.ClH/c1-2-4-5-3-1;1-2-3;/h1-4H2;3H,2H2,1H3;1H
InChIKeyDLQNZLNUUXVRKO-UHFFFAOYSA-N
MW154.64 g/mol
LogP1.22
Rot. Bonds

About ethanol;oxolane;hydrochloride

ethanol;oxolane;hydrochloride (PubChem CID 23103637) has the molecular formula C6H15ClO2 and a molecular weight of 154.64 g/mol. Its IUPAC name is ethanol;oxolane;hydrochloride.

Molecular Properties

Compound Nameethanol;oxolane;hydrochloride
PubChem CID23103637
Molecular FormulaC6H15ClO2
Molecular Weight154.64 g/mol
Exact Mass154.08
IUPAC Nameethanol;oxolane;hydrochloride
SMILESC1CCOC1.CCO.Cl
InChIInChI=1S/C4H8O.C2H6O.ClH/c1-2-4-5-3-1;1-2-3;/h1-4H2;3H,2H2,1H3;1H
InChIKeyDLQNZLNUUXVRKO-UHFFFAOYSA-N
XLogP1.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.64
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

MeOH tetrahydrofuran
CID 21899815
Tetrahydrofuran dimethanol
CID 86594347
Oxolanium perchlorate
CID 129786199
Acetylene;methanol;oxolane
CID 141822983
Ethanol tetrahydrofuran water
CID 18504229
Tetrahydrofuran ethanol
CID 21873804
Methanol tetrahydrofuran water
CID 21892291
Tetrahydrofuran 2-propanol
CID 22597222
Tetrahydrofuran water isopropanol
CID 22722550
CHCl3 THF MeOH
CID 22742167
methanol THF dichloromethane
CID 22912779
Oxolane;propan-1-ol
CID 23117334

Frequently Asked Questions

What is the IUPAC name of ethanol;oxolane;hydrochloride?
The IUPAC name of ethanol;oxolane;hydrochloride (CID 23103637) is ethanol;oxolane;hydrochloride.
What is the SMILES notation for ethanol;oxolane;hydrochloride?
The canonical SMILES for ethanol;oxolane;hydrochloride is C1CCOC1.CCO.Cl.
What is the InChIKey of ethanol;oxolane;hydrochloride?
The InChIKey is DLQNZLNUUXVRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H6O.ClH/c1-2-4-5-3-1;1-2-3;/h1-4H2;3H,2H2,1H3;1H.
What are the key properties of ethanol;oxolane;hydrochloride?
ethanol;oxolane;hydrochloride has a molecular weight of 154.64 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;oxolane;hydrochloride is sourced from PubChem (CID 23103637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).